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1-Bromooctane 97%

CAT: 0286-B23230-02Size: 1000 gDry Ice: NoHazardous: No
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CAT#:0286-B23230-02Size:1000 g
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CAS Number
111-83-1
Synonyms
N-Octyl bromide
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00000276
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled.
DOT Name
Not D.O.T.-Regulated
Precautions
P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

1-Bromooctane
CAS Number111-83-1
PubChem CID8140
IUPAC Name1-bromooctane
Molecular FormulaC8H17Br
Molecular Weight193.12
XLogP4.9
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count6
Heavy Atom Count9
Formal Charge0
Complexity43
SMILES
CCCCCCCCBr
InChI
InChI=1S/C8H17Br/c1-2-3-4-5-6-7-8-9/h2-8H2,1H3
InChIKey
VMKOFRJSULQZRM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Bromooctane
CAS: 111-83-1
CID: 8140
Formula: C8H17Br
MW: 193.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight193.12
XLogP34.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count6
Exact Mass192.05136
Monoisotopic Mass192.05136
Topological Polar Surface Area0 Ų
Heavy Atom Count9
Formal Charge0
Complexity43.8
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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